TrixiePhos Pd G3

Product Information

Molecular Formula:
C41H44NO3PPdS
Molecular Weight:
768.25
Description
TrixiePhos Pd G3 is an innovative biomedical entity. This palladium-based compound can trigger apoptosis, thereby exhibiting anticancer and antitumor activity.
Synonyms
Mesyl(2-(di-tert-butylphosphino)-1,1'-binaphthyl)[2-(2'-amino-1,1'-biphenyl)]palladium(II)
IUPAC Name
ditert-butyl-(1-naphthalen-1-ylnaphthalen-2-yl)phosphanemethanesulfonic acidpalladium2-phenylaniline
Canonical SMILES
CC(C)(C)P(C1=C(C2=CC=CC=C2C=C1)C3=CC=CC4=CC=CC=C43)C(C)(C)C.CS(=O)(=O)O.C1=CC=C([C-]=C1)C2=CC=CC=C2N.[Pd]
InChI
InChI=1S/C28H31P.C12H10N.CH4O3S.Pd/c1-27(2,3)29(28(4,5)6)25-19-18-21-13-8-10-16-23(21)26(25)24-17-11-14-20-12-7-9-15-22(20)2413-12-9-5-4-8-11(12)10-6-2-1-3-7-101-5(2,3)4/h7-19H,1-6H31-6,8-9H,13H21H3,(H,2,3,4)/q-1
InChI Key
PNVSELRAPYZZPG-UHFFFAOYSA-N
Melting Point
150-155 °C (decompose with no melt)
Flash Point
Not applicable

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
5
Exact Mass
768.18926 g/mol
Monoisotopic Mass
768.18926 g/mol
Topological Polar Surface Area
88.8Ų
Heavy Atom Count
48
Formal Charge
-1
Complexity
973
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
4
Compound Is Canonicalized
Yes
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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